| SpectraBase Compound ID | 8wNEFt8mnzG |
|---|---|
| InChI | InChI=1S/C15H21NO3/c1-4-5-6-12-7-9-13(10-8-12)14(17)16-11(2)15(18)19-3/h7-11H,4-6H2,1-3H3,(H,16,17) |
| InChIKey | SHIVHQBYQKEZEA-UHFFFAOYSA-N |
| Mol Weight | 263.34 g/mol |
| Molecular Formula | C15H21NO3 |
| Exact Mass | 263.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3drz9DgQx7h |
|---|---|
| Name | L-Alanine, N-(4-butylbenzoyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.152143537 u |
| Formula | C15H21NO3 |
| InChI | InChI=1S/C15H21NO3/c1-4-5-6-12-7-9-13(10-8-12)14(17)16-11(2)15(18)19-3/h7-11H,4-6H2,1-3H3,(H,16,17) |
| InChIKey | SHIVHQBYQKEZEA-UHFFFAOYSA-N |
| Molecular Weight | 263.337 g/mol |
| SMILES | CCCCC1=CC=C(C=C1)C(NC(C)C(OC)=O)=O |